CID 61608209

3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H14F3NO
SMILES
CCN(CCCO)CC(F)(F)F
InChI
InChI=1S/C7H14F3NO/c1-2-11(4-3-5-12)6-7(8,9)10/h12H,2-6H2,1H3
InChIKey
SHANLXGSKSYCMK-UHFFFAOYSA-N
Compound name
3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.10275 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11003 138.5
[M+Na]+ 208.09197 144.8
[M-H]- 184.09547 134.7
[M+NH4]+ 203.13657 158.1
[M+K]+ 224.06591 144.3
[M+H-H2O]+ 168.10001 131.1
[M+HCOO]- 230.10095 157.5
[M+CH3COO]- 244.11660 185.8
[M+Na-2H]- 206.07742 142.8
[M]+ 185.10220 135.8
[M]- 185.10330 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.